COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565567
Chemical Name: (E)-(4-fluorophenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 430.5
Empirical Formula: C22H23FN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.721
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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